Crystallography Open Database

Information card for entry 7156293

Preview

Coordinates	7156293.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H26 Cl Ir N2
Calculated formula	C25 H26 Cl Ir N2
Title of publication	Facile and practical synthesis of β-carbolinium salts and γ-carbolinium salts via rhodium-catalyzed three-component reactions.
Authors of publication	Wang, Zhuo; Li, Tongyu; Xing, Siyang; Zhu, Bolin
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	27
Pages of publication	5021 - 5026
a	7.5213 ± 0.0002 Å
b	16.0289 ± 0.0005 Å
c	17.7564 ± 0.0006 Å
α	90°
β	91.742 ± 0.003°
γ	90°
Cell volume	2139.69 ± 0.11 Å³
Cell temperature	135 ± 0.1 K
Ambient diffraction temperature	135 ± 0.1 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0358
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0487
Weighted residual factors for all reflections included in the refinement	0.0504
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7156293.html